[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-2-thiophenecarboxylic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)thiophene-2-carboxylic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O4S/c22-16-6-4-15(5-7-16)18-8-9-19(29-18)21(26)28-14-20(25)24(11-2-10-23)13-17-3-1-12-27-17/h1,3-9,12H,2,11,13-14H2